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915920-63-7 molecular structure
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5-ethyl-4-methyl-6-(piperidin-1-yl)pyrimidin-2-amine

ChemBase ID: 311404
Molecular Formular: C12H20N4
Molecular Mass: 220.314
Monoisotopic Mass: 220.16879666
SMILES and InChIs

SMILES:
c1(nc(nc(c1CC)C)N)N1CCCCC1
Canonical SMILES:
CCc1c(C)nc(nc1N1CCCCC1)N
InChI:
InChI=1S/C12H20N4/c1-3-10-9(2)14-12(13)15-11(10)16-7-5-4-6-8-16/h3-8H2,1-2H3,(H2,13,14,15)
InChIKey:
BCRJXMWWKWVHHM-UHFFFAOYSA-N

Cite this record

CBID:311404 http://www.chembase.cn/molecule-311404.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-4-methyl-6-(piperidin-1-yl)pyrimidin-2-amine
IUPAC Traditional name
5-ethyl-4-methyl-6-(piperidin-1-yl)pyrimidin-2-amine
Synonyms
5-ethyl-4-methyl-6-(1-piperidinyl)-2-pyrimidinamine
CAS Number
915920-63-7
MDL Number
MFCD02215122

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7726875  LogD (pH = 7.4) 2.040736 
Log P 2.5418231  Molar Refractivity 68.4865 cm3
Polarizability 24.65942 Å3 Polar Surface Area 55.04 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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